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1-Ethyl 2-boronobenzoate

1-Ethyl 2-boronobenzoate structure

CAS No:
380430-53-5
Formula:
C9H11BO4
Chemical Name:
1-Ethyl 2-boronobenzoate
Synonyms:
Benzoic acid,2-borono-,1-ethyl ester;1-Ethyl 2-boronobenzoate;2-Ethoxycarbonylphenylboronic acid
Categories:
Organic Chemistry > Coordination Complexes

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1-Ethyl 2-boronobenzoate Basic Attributes

Molecular Weight：

193.99

Exact Mass：

193.99

DSSTox ID：

DTXSID70378440

HScode：

2931900090

Characteristics

PSA：

66.8

Density：

1.2±0.1 g/cm3

Melting Point：

137 °C

Boiling Point：

367.5°C at 760 mmHg

Flash Point：

176.1±28.4 °C

Refractive Index：

1.527

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Ethyl 2-boronobenzoate Use and Manufacturing

suzuki reaction

Computed Properties

Molecular Weight:193.99
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.0750390
Monoisotopic Mass:194.0750390
Topological Polar Surface Area:66.8
Heavy Atom Count:14
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Ethoxycarbonylbenzeneboronic acid

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Content: 99.00%

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